ethyl 5-[6-[4-(2-bromanyl-5-fluoranyl-phenoxy)piperidin-1-yl]pyridazin-3-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-[6-[4-(2-bromanyl-5-fluoranyl-phenoxy)piperidin-1-yl]pyridazin-3-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-[6-[4-(2-bromo-5-fluoro-phenoxy)-1-piperidyl]pyridazin-3-yl]pyridine-3-carboxylate CAS Name: 5-[6-[4-(2-bromo-5-fluorophenoxy)-1-piperidinyl]-3-pyridazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[6-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]pyridine-3-carboxylate Traditional Name: 5-[6-[4-(2-bromo-5-fluoro-phenoxy)piperidino]pyridazin-3-yl]nicotinic acid ethyl ester Formula: C23H22BrFN4O3 MolecularWeight: 501.348183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=CC(=C1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Br

Isomeric SMILES

CCOC(=O)C1=CN=CC(=C1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Br

InChI

InChI=1S/C23H22BrFN4O3/c1-2-31-23(30)16-11-15(13-26-14-16)20-5-6-22(28-27-20)29-9-7-18(8-10-29)32-21-12-17(25)3-4-19(21)24/h3-6,11-14,18H,2,7-10H2,1H3